Crystallography Open Database

Information card for entry 4328885

Preview

Coordinates	4328885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H42 B Cl4 Cu2 F24 N6 O4
Calculated formula	C66 H38 B Cu2 F24 N6 O4
Title of publication	Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes
Authors of publication	Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4511 - 4520
a	14.1997 ± 0.0015 Å
b	15.3184 ± 0.0016 Å
c	18.656 ± 0.0019 Å
α	110.52 ± 0.001°
β	97.904 ± 0.001°
γ	106.547 ± 0.001°
Cell volume	3513.5 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179391 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/88.	4328885.cif
77924	2013-04-01	cif/ Adding structures of 4328885 via cif-deposit CGI script.	4328885.cif