Crystallography Open Database

Information card for entry 7042444

Preview

Coordinates	7042444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 Ni O2 P2 S
Calculated formula	C25 H38 Ni O2 P2 S
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	12.4676 ± 0.0007 Å
b	12.7321 ± 0.0007 Å
c	16.5948 ± 0.0009 Å
α	97.829 ± 0.002°
β	91.1728 ± 0.0019°
γ	91.62 ± 0.002°
Cell volume	2607.9 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1055
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7042444.cif
194181	2017-03-11	cif/ Adding structures of 7042438, 7042439, 7042440, 7042441, 7042442, 7042443, 7042444 via cif-deposit CGI script.	7042444.cif