Crystallography Open Database

Information card for entry 4315094

Preview

Coordinates	4315094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 N10 Ni2 O12
Calculated formula	C32 H24 N10 Ni2 O11.99
Title of publication	Spin Canting and Slow Relaxation in a 3D Pillared Nickel-Organic Framework
Authors of publication	Fu-Ping Huang; Jin-Lei Tian; Dong-Dong Li; Gong-Jun Chen; Wen Gu; Shi-Ping Yan; Xin Liu; Dai-Zheng Liao; Peng Cheng
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2525 - 2529
a	8.28 ± 0.0017 Å
b	28.059 ± 0.006 Å
c	16.424 ± 0.003 Å
α	90°
β	94.02 ± 0.03°
γ	90°
Cell volume	3806.4 ± 1.3 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	0.1156
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179230 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/50.	4315094.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315094.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315094.cif
8237	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4315094 via cif-deposit CGI script.	4315094.cif