Crystallography Open Database

Information card for entry 7113875

Preview

Coordinates	7113875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H87 Cl6 Co3 N11 O5
Calculated formula	C66 H85 Cl6 Co3 N11 O5
Title of publication	Stereoselective formation of dinuclear complexes with anomalous CD spectra
Authors of publication	Telfer, Shane G.; Kuroda, Reiko; Sato, Tomohiro
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	9
Pages of publication	1064 - 1065
a	11.3742 ± 0.0007 Å
b	22.3554 ± 0.0014 Å
c	14.5873 ± 0.0009 Å
α	90°
β	104.626 ± 0.001°
γ	90°
Cell volume	3589 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104096
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210764 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7104096, 7113875. Marking entry 7113875 as a duplicate of entry 7104096.	7113875.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113875.cif
115323	2014-06-03	cif/ Adding structures of 7113875 via cif-deposit CGI script.	7113875.cif