Crystallography Open Database

Information card for entry 7042439

Preview

Coordinates	7042439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 B Ni O6 P2
Calculated formula	C30 H39 B Ni O6 P2
SMILES	[B]12([O](c3ccccc3O1)[Ni]13c4c(cccc4O[P]1(C(C)C)C(C)C)O[P]3(C(C)C)C(C)C)Oc1ccccc1O2
Title of publication	Hydroboration of CO2 catalyzed by bis(phosphinite) pincer ligated nickel thiolate complexes.
Authors of publication	Liu, Ting; Meng, Wenjuan; Ma, Qiang-Qiang; Zhang, Jie; Li, Huizhen; Li, Shujun; Zhao, Qianyi; Chen, Xuenian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4504 - 4509
a	10.7701 ± 0.0009 Å
b	11.5716 ± 0.0014 Å
c	14.565 ± 0.0016 Å
α	72.803 ± 0.01°
β	79.684 ± 0.008°
γ	62.913 ± 0.01°
Cell volume	1541.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
196445 (current)	2017-05-06	cif/ Updating files of 7042438, 7042439, 7042440, 7042441, 7042442, 7042443, 7042444 Original log message: Adding full bibliography for 7042438--7042444.cif.	7042439.cif
194181	2017-03-11	cif/ Adding structures of 7042438, 7042439, 7042440, 7042441, 7042442, 7042443, 7042444 via cif-deposit CGI script.	7042439.cif