Crystallography Open Database

Information card for entry 4131169

Preview

Coordinates	4131169.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-ISOCN-3
Formula	C95 H112 Cu F6 N3 O5 P
Calculated formula	C95 H112 Cu F6 N3 O5 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	13.74 ± 0.003 Å
b	31.382 ± 0.006 Å
c	21.01 ± 0.004 Å
α	90°
β	99.681 ± 0.003°
γ	90°
Cell volume	8930 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.2176
Residual factor for significantly intense reflections	0.123
Weighted residual factors for significantly intense reflections	0.3287
Weighted residual factors for all reflections included in the refinement	0.3825
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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
241448 (current)	2019-11-25	cif/ Adding structures of 4131168, 4131169, 4131170, 4131171 via cif-deposit CGI script.	4131169.cif