Crystallography Open Database

Information card for entry 7005523

Preview

Coordinates	7005523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H34 N4 O10 Re2
Calculated formula	C53 H34 N4 O10 Re2
Title of publication	Rigidity-modulated conformation control: a strategy for incorporating flexible building motifs into metallacycles
Authors of publication	Sathiyendiran, Malaichamy; Chang, Che-Hao; Chuang, Chuan-Hung; Luo, Tzuoo-Tsair; Wen, Yuh-Sheng; Lu, Kuang-Lieh
Journal of publication	Dalton Transactions
Year of publication	2007
Journal issue	19
Pages of publication	1872
a	13.3125 ± 0.0015 Å
b	13.6261 ± 0.0018 Å
c	15.5143 ± 0.0013 Å
α	73.052 ± 0.009°
β	91.069 ± 0.008°
γ	119.326 ± 0.011°
Cell volume	2320.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179759 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/55.	7005523.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005523.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005523.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005523.cif