Crystallography Open Database

Information card for entry 7205871

7205870 << 7205871 >> 7205872

Preview

Coordinates	7205871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 Br Cu2 Er N8 O8
Calculated formula	C32 H20 Br Cu2 Er N8 O8
Title of publication	Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence
Authors of publication	Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3852
a	15.993 ± 0.002 Å
b	5.3401 ± 0.0007 Å
c	18.709 ± 0.002 Å
α	90°
β	101.289 ± 0.002°
γ	90°
Cell volume	1566.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7205871.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205871.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205871.cif
21038	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205869, 7205870, 7205871, 7205872, 7205873 via cif-deposit CGI script.	7205871.cif