Crystallography Open Database

Information card for entry 7204754

7204753 << 7204754 >> 7204755

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Coordinates	7204754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Cu3 N3 P6 Se6
Calculated formula	C36 H84 Cu3 N3 P6 Se6
SMILES	C(C)(C)P1(C(C)C)N=P(C(C)C)(C(C)C)[Se]2[Cu]([Se]=1)[Se]1[Cu]([Se]=P(C(C)C)(C(C)C)N=P1(C(C)C)C(C)C)[Se]1[Cu]2[Se]=P(C(C)C)(C(C)C)N=P1(C(C)C)C(C)C
Title of publication	The synthesis, X-ray structures and CVD studies of some group 11 complexes of iminobis(diisopropylphosphine selenides) and their use in the deposition of I/III/VI photovoltaic materials
Authors of publication	Afzaal, Mohammad; Crouch, David J.; O'Brien, Paul; Raftery, James; Skabara, Peter J.; White, Andrew J. P.; Williams, David J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2004
Journal volume	14
Journal issue	2
Pages of publication	233
a	13.178 ± 0.008 Å
b	30.108 ± 0.017 Å
c	14.691 ± 0.009 Å
α	90°
β	109.423 ± 0.012°
γ	90°
Cell volume	5497 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	0.74
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180378 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/47.	7204754.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204754.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204754.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7204754.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204754.cif