Crystallography Open Database

Information card for entry 7206003

7206002 << 7206003 >> 7206004

Preview

Coordinates	7206003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 N4 Ni3 O14
Calculated formula	C46 H46 N4 Ni3 O14
Title of publication	Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters
Authors of publication	Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	4196
a	11.378 ± 0.005 Å
b	19.106 ± 0.009 Å
c	12.234 ± 0.004 Å
α	90°
β	121.14 ± 0.03°
γ	90°
Cell volume	2276.3 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2063
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
180391 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60.	7206003.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206003.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206003.cif
21308	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7206002, 7206003 via cif-deposit CGI script.	7206003.cif