Crystallography Open Database

Information card for entry 7204676

7204675 << 7204676 >> 7204677

Preview

Coordinates	7204676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H36 Cl3.5 N5 O3
Calculated formula	C46.417 H34.434 Cl3.416 N5 O3
Title of publication	New assembly modes of porphyrin-based networks
Authors of publication	Vinodu, Mikki; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	36
Pages of publication	204
a	8.06 ± 0.0002 Å
b	15.039 ± 0.0004 Å
c	16.817 ± 0.0006 Å
α	83.761 ± 0.001°
β	77.324 ± 0.0011°
γ	88.522 ± 0.002°
Cell volume	1976.99 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1933
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204676.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204676.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204676.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/.	7204676.cif