Crystallography Open Database

Information card for entry 4131170

Preview

Coordinates	4131170.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-ISOCN-2
Formula	C79 H79 Cu F6 N3 O P
Calculated formula	C79 H79 Cu F6 N3 O P
Title of publication	Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.
Authors of publication	Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	46
Pages of publication	15138 - 15141
a	38.4955 ± 0.0014 Å
b	17.5041 ± 0.0006 Å
c	27.6236 ± 0.001 Å
α	90°
β	113.737 ± 0.002°
γ	90°
Cell volume	17038.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1493
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.2839
Weighted residual factors for all reflections included in the refinement	0.339
Goodness-of-fit parameter for all reflections included in the refinement	1.295
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
241448 (current)	2019-11-25	cif/ Adding structures of 4131168, 4131169, 4131170, 4131171 via cif-deposit CGI script.	4131170.cif