Crystallography Open Database

Information card for entry 4339630

Preview

Coordinates	4339630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H27 Cl N5 O5 Re
Calculated formula	C47.5 H27 Cl N5 O5 Re
Title of publication	Synthesis, reactivity, and properties of N-fused porphyrin rhenium(I) tricarbonyl complexes.
Authors of publication	Toganoh, Motoki; Ikeda, Shinya; Furuta, Hiroyuki
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	10003 - 10015
a	37.386 ± 0.002 Å
b	9.4452 ± 0.0005 Å
c	23.9734 ± 0.0012 Å
α	90°
β	115.175 ± 0.001°
γ	90°
Cell volume	7661.3 ± 0.7 Å³
Cell temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339630.cif
117437	2014-06-15	cif/ Adding structures of 4339629, 4339630 via cif-deposit CGI script.	4339630.cif