Crystallography Open Database

Information card for entry 7700718

Preview

Coordinates	7700718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H65 B2 N8 Ni O
Calculated formula	C40 H66 B2 N8 Ni O
Title of publication	Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation.
Authors of publication	Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	35
Pages of publication	13242 - 13247
a	11.0018 ± 0.0001 Å
b	10.8736 ± 0.0002 Å
c	34.0677 ± 0.0003 Å
α	90°
β	90.903 ± 0.001°
γ	90°
Cell volume	4074.98 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
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	0.0901
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1869
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224501 (current)	2019-11-08	cif/ Updating files of 7700714, 7700715, 7700716, 7700717, 7700718 Original log message: Adding full bibliography for 7700714--7700718.cif.	7700718.cif
217371	2019-08-03	cif/ Adding structures of 7700714, 7700715, 7700716, 7700717, 7700718 via cif-deposit CGI script.	7700718.cif