Crystallography Open Database

Information card for entry 7042443

Preview

Coordinates	7042443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H43 F3 Ni O2 P2 S
Calculated formula	C29 H43 F3 Ni O2 P2 S
SMILES	c1cc2O[P]([Ni]3(Sc4ccc(cc4)C(F)(F)F)[P](Oc(c23)c1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
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	11.1235 ± 0.0011 Å
b	15.9839 ± 0.0015 Å
c	18.1662 ± 0.0017 Å
α	90°
β	91.3393 ± 0.0011°
γ	90°
Cell volume	3229 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0633
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7042443.cif
194181	2017-03-11	cif/ Adding structures of 7042438, 7042439, 7042440, 7042441, 7042442, 7042443, 7042444 via cif-deposit CGI script.	7042443.cif