Crystallography Open Database

Information card for entry 7200561

7200560 << 7200561 >> 7200562

Preview

Coordinates	7200561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 N10 Ni O2
Calculated formula	C26 H16 N10 Ni O2
Title of publication	Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation
Authors of publication	Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	784
a	6.976 ± 0.0009 Å
b	17.636 ± 0.002 Å
c	11.053 ± 0.001 Å
α	90°
β	121.308 ± 0.006°
γ	90°
Cell volume	1161.8 ± 0.2 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	0.0446
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180336 (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 7/20/05.	7200561.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200561.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200561.cif
31984	2012-01-04	cif/ Changing data item '_diffrn_standards_decay_% negligible' to '_diffrn_standards_decay_% 0'.	7200561.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200561.cif