Crystallography Open Database

Information card for entry 4335593

Preview

Coordinates	4335593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 Cl2 N2 Ni O2 P2
Calculated formula	C38 H58 Cl2 N2 Ni O2 P2
Title of publication	Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework
Authors of publication	Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8851 - 8864
a	9.5206 ± 0.0007 Å
b	16.9847 ± 0.0014 Å
c	23.9758 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3877 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179458 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335593.cif
101527	2014-02-14	cif/ Adding structures of 4335593 via cif-deposit CGI script.	4335593.cif