Crystallography Open Database

Information card for entry 1519536

1519535 << 1519536 >> 1519537

Preview

Coordinates	1519536.cif

Structure parameters

Formula	C30 H54 Co2 F12 N20 O16 S4
Calculated formula	C30 H54 Co2 F12 N20 O16 S4
Title of publication	C30H54Co2F12N20O16S4
Authors of publication	Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2003
Pages of publication	983
a	18.8487 ± 0.0004 Å
b	17.6656 ± 0.0004 Å
c	17.0546 ± 0.0004 Å
α	90°
β	104.054 ± 0.001°
γ	90°
Cell volume	5508.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0822
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1519536.cif
136120	2015-05-12	cif/ Adding structures of 1519536 via cif-deposit CGI script.	1519536.cif