Crystallography Open Database

Information card for entry 4135390

Preview

Coordinates	4135390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.75 H36 Cl N2 Ni P2
Calculated formula	C33.75 H36 Cl N2 Ni P2
Title of publication	Enthalpy-Controlled Insertion of a "Nonspectator" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.
Authors of publication	Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	51
Pages of publication	21285 - 21291
a	15.4791 ± 0.0013 Å
b	15.4791 ± 0.0013 Å
c	26.403 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6326.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
260425 (current)	2021-01-04	cif/ Updating files of 4135390, 4135391, 4135392, 4135393 Original log message: Adding full bibliography for 4135390--4135393.cif.	4135390.cif
259843	2020-12-13	cif/ Adding structures of 4135390 via cif-deposit CGI script.	4135390.cif