Crystallography Open Database

Information card for entry 1520357

1520356 << 1520357 >> 1520358

Preview

Coordinates	1520357.cif
External links	PubChem

Structure parameters

Formula	C12 H24 Cl8 N6 O4 P6
Calculated formula	C12 H24 Cl8 N6 O4 P6
Title of publication	C12H48Cl8N6O4P6
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Kilic, A.; Davies, David B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	717
a	10.1145 ± 0.0004 Å
b	10.9859 ± 0.0005 Å
c	15.0878 ± 0.0006 Å
α	72.775 ± 0.003°
β	72.933 ± 0.003°
γ	73.224 ± 0.003°
Cell volume	1492.97 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520357.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520357.cif
138360	2015-06-05	cif/ Adding structures of 1520357 via cif-deposit CGI script.	1520357.cif