Crystallography Open Database

Information card for entry 4073474

Preview

Coordinates	4073474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H63 Br3 Ca3 Mg O7
Calculated formula	C42 H63 Br3 Ca3 Mg O7
Title of publication	Syntheses and Structure of the Solvent-Separated Calcium Cuprate [(thf)3Ca(μ-Ph)3Ca(thf)3]+[Ph−Cu−Ph]-
Authors of publication	Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3269
a	19.501 ± 0.0004 Å
b	19.501 ± 0.0004 Å
c	22.1204 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7285.1 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178623 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34.	4073474.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073474.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073474.cif
46361	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073474 via cif-deposit CGI script.	4073474.cif