Crystallography Open Database

Information card for entry 8106595

Preview

Coordinates	8106595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 Cu N3 O P
Calculated formula	C29 H28 Cu N3 O P
Title of publication	Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ2 N:N′-bis(cyano-κC)dicopper(I)]-water, C58H56Cu2N6O2P2
Authors of publication	Zhang, Yan-Ru; Li, Zhi-Qiang; Liu, Min; Bi, Kai-Lun; Jin, Qiong-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	533 - 535
a	12.0546 ± 0.0009 Å
b	13.1669 ± 0.001 Å
c	16.7151 ± 0.0012 Å
α	90°
β	101.845 ± 0.002°
γ	90°
Cell volume	2596.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
280602 (current)	2023-01-25	cif/ Adding structures of 8106595 via cif-deposit CGI script.	8106595.cif