Crystallography Open Database

Information card for entry 4124757

Preview

Coordinates	4124757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Cu N7 O6
Calculated formula	C35 H41 Cu N7 O6
Title of publication	Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.
Authors of publication	Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	1
Pages of publication	356 - 368
a	10.0248 ± 0.0007 Å
b	14.0793 ± 0.0009 Å
c	26.1018 ± 0.0017 Å
α	90°
β	99.111 ± 0.003°
γ	90°
Cell volume	3637.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175787 (current)	2016-02-04	cif/ Updating files of 4124756, 4124757, 4124758, 4124759, 4124760, 4124761 Original log message: Adding full bibliography for 4124756--4124761.cif.	4124757.cif
171724	2015-12-24	cif/ Adding structures of 4124756, 4124757, 4124758, 4124759, 4124760, 4124761 via cif-deposit CGI script.	4124757.cif