Crystallography Open Database

Information card for entry 4122643

Preview

Coordinates	4122643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H71 Cu3 N8 O
Calculated formula	C49 H71 Cu3 N8 O
Title of publication	Isolation of a (Dinitrogen)Tricopper(I) Complex
Authors of publication	Murray, Leslie J.; Weare, Walter W.; Shearer, Jason; Mitchell, Alyssa D.; Abboud, Khalil A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	140919104426007
a	20.508 ± 0.002 Å
b	11.6305 ± 0.0012 Å
c	20.199 ± 0.002 Å
α	90°
β	109.809 ± 0.0019°
γ	90°
Cell volume	4532.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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
179028 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/26.	4122643.cif
124071	2014-09-20	cif/ Adding structures of 4122643 via cif-deposit CGI script.	4122643.cif