Crystallography Open Database

Information card for entry 1520271

1520270 << 1520271 >> 1520272

Preview

Coordinates	1520271.cif

Structure parameters

Formula	C14 H29 Cl2 N9 O7 P6
Calculated formula	C14 H29 Cl2 N9 O7 P6
Title of publication	C14H29Cl2N9O7P6
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, Adem
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	413
a	32.138 ± 0.002 Å
b	8.5084 ± 0.0006 Å
c	11.6735 ± 0.0005 Å
α	90°
β	110.275 ± 0.004°
γ	90°
Cell volume	2994.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2595
Residual factor for significantly intense reflections	0.1412
Weighted residual factors for significantly intense reflections	0.2154
Weighted residual factors for all reflections included in the refinement	0.259
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	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.	1520271.cif
137901	2015-06-04	cif/ Adding structures of 1520271 via cif-deposit CGI script.	1520271.cif