Crystallography Open Database

Information card for entry 4112645

Preview

Coordinates	4112645.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cr3(dpa)4(NO3)2,Et2O
Formula	C44 H42 Cr3 N14 O7
Calculated formula	C44 H42 Cr3 N14 O7
Title of publication	Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains
Authors of publication	John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	7082 - 7096
a	16.289 ± 0.003 Å
b	16.3743 ± 0.0015 Å
c	17.3732 ± 0.0013 Å
α	90°
β	103.624 ± 0.009°
γ	90°
Cell volume	4503.4 ± 1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.1098
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.1684
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
178897 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/26.	4112645.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112645.cif
65054	2012-09-04	cif/ Adding structures of 4112645 via cif-deposit CGI script.	4112645.cif