Crystallography Open Database

Information card for entry 1513025

Preview

Coordinates	1513025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H92 Co8 N12 O45
Calculated formula	C54 H92 Co8 N12 O45
Title of publication	Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities
Authors of publication	Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	48 - 59
a	13.9081 ± 0.0011 Å
b	13.9147 ± 0.0013 Å
c	14.0033 ± 0.0017 Å
α	113.529 ± 0.002°
β	111.7 ± 0.002°
γ	102.769 ± 0.001°
Cell volume	2081.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.2073
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513025.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513025.cif
91351	2013-12-12	cif/ Adding structures of 1513025 via cif-deposit CGI script.	1513025.cif