Crystallography Open Database

Information card for entry 1519564

1519563 << 1519564 >> 1519565

Preview

Coordinates	1519564.cif

Structure parameters

Formula	C122 H118 Cl10 Mn9 N58 O60
Calculated formula	C122 H102 Cl10 Mn9 N58 O60
Title of publication	C122H118Cl10Mn9N58O60
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	970
a	18.497 ± 0.005 Å
b	18.497 ± 0.005 Å
c	24.801 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	8485 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.2096
Residual factor for significantly intense reflections	0.1341
Weighted residual factors for significantly intense reflections	0.2755
Weighted residual factors for all reflections included in the refinement	0.312
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	1519564.cif
136170	2015-05-13	cif/ Adding structures of 1519564 via cif-deposit CGI script.	1519564.cif