Crystallography Open Database

Information card for entry 7212601

Preview

Coordinates	7212601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 N12 Ni3 O14
Calculated formula	C48 H42 N12 Ni3 O14
Title of publication	Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior
Authors of publication	Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4339
a	17.4216 ± 0.0015 Å
b	8.507 ± 0.0007 Å
c	16.3463 ± 0.0014 Å
α	90°
β	106.566 ± 0.001°
γ	90°
Cell volume	2322.1 ± 0.3 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	0.0375
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
180457 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212601.cif
93147	2014-01-12	cif/ Adding structures of 7212599, 7212600, 7212601 via cif-deposit CGI script.	7212601.cif