Crystallography Open Database

Information card for entry 4304860

Preview

Coordinates	4304860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Br Cu N4 P2
Calculated formula	C38 H50 Br Cu N4 P2
SMILES	[Cu](Br)([P](c1ccccc1)(c1ccccc1)C(=N/C(C)C)\NC(C)C)[P](c1ccccc1)(c1ccccc1)\C(=N/C(C)C)NC(C)C
Title of publication	Phosphaguanidines as Scaffolds for Multimetallic Complexes Containing Metal-Functionalized Phosphines
Authors of publication	Joanna Grundy; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2258 - 2260
a	10.4275 ± 0.0001 Å
b	17.1857 ± 0.0002 Å
c	22.3749 ± 0.0003 Å
α	90°
β	97.21 ± 0.001°
γ	90°
Cell volume	3977.96 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4304860.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304860.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304860.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304860.cif