Crystallography Open Database

Information card for entry 4512901

Preview

Coordinates	4512901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H40 Co2 N6 O12
Calculated formula	C53 H40 Co2 N6 O12
Title of publication	Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids
Authors of publication	Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2272
a	17.033 ± 0.004 Å
b	9.182 ± 0.002 Å
c	23.177 ± 0.004 Å
α	90°
β	131.684 ± 0.012°
γ	90°
Cell volume	2707.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4512901.cif
138065	2015-06-05	cif/ Updating files of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 Original log message: Adding full bibliography for 4512895--4512901.cif.	4512901.cif
136221	2015-05-13	cif/ Adding structures of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 via cif-deposit CGI script.	4512901.cif