Crystallography Open Database

Information card for entry 1519748

1519747 << 1519748 >> 1519749

Preview

Coordinates	1519748.cif

Structure parameters

Formula	C58 H50 Cl4 Mn3 N26 O16
Calculated formula	C58 H50 Cl4 Mn3 N26 O16
Title of publication	C58 H50 Cl4 Mn3 N26 O16
Authors of publication	Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2005
Pages of publication	1064
a	22.06 ± 0.003 Å
b	22.06 ± 0.003 Å
c	19.537 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9508 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	135
Hermann-Mauguin space group symbol	P 42/m b c
Hall space group symbol	-P 4c 2ab
Residual factor for all reflections	0.1472
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2465
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	1519748.cif
136970	2015-05-19	cif/ Adding structures of 1519748 via cif-deposit CGI script.	1519748.cif