Crystallography Open Database

Information card for entry 1519601

1519600 << 1519601 >> 1519602

Preview

Coordinates	1519601.cif

Structure parameters

Formula	C58 H62 Cl6 N26 O30 Zn3
Calculated formula	C58 H50 Cl6 N26 O30 Zn3
Title of publication	C58H62Cl6N26O30Zn3
Authors of publication	Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2004
Pages of publication	1063
a	23.507 ± 0.005 Å
b	18.121 ± 0.004 Å
c	21.007 ± 0.004 Å
α	90°
β	118.687 ± 0.003°
γ	90°
Cell volume	7850 ± 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	0.1705
Residual factor for significantly intense reflections	0.1245
Weighted residual factors for significantly intense reflections	0.2745
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	1519601.cif
136209	2015-05-13	cif/ Adding structures of 1519601 via cif-deposit CGI script.	1519601.cif