Crystallography Open Database

Information card for entry 7223922

Preview

Coordinates	7223922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 N10 Ni O10
Calculated formula	C16 H28 N10 Ni O10
SMILES	c1n(cc[n]1[Ni]([OH2])([n]1cn(cc1)Cc1cn(CC(=O)[O-])nn1)([OH2])([OH2])[OH2])Cc1nnn(c1)CC(=O)[O-].O.O
Title of publication	Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand
Authors of publication	Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	8
Pages of publication	1350
a	7.7318 ± 0.0015 Å
b	8.9961 ± 0.0018 Å
c	9.1815 ± 0.0018 Å
α	94.4 ± 0.03°
β	107.22 ± 0.03°
γ	95.01 ± 0.03°
Cell volume	604.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
177756 (current)	2016-03-05	cif/ Updating files of 7223915, 7223916, 7223917, 7223918, 7223919, 7223920, 7223921, 7223922, 7223923 Original log message: Adding full bibliography for 7223915--7223923.cif.	7223922.cif
174557	2016-01-19	cif/ Adding structures of 7223915, 7223916, 7223917, 7223918, 7223919, 7223920, 7223921, 7223922, 7223923 via cif-deposit CGI script.	7223922.cif