Crystallography Open Database

Information card for entry 4070616

Preview

Coordinates	4070616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 N12 O12 Re4
Calculated formula	C48 H40 N12 O12 Re4
Title of publication	Unprecedented Reduction of 2,2′-Bipyrimidine in a One-Pot Synthesis of Neutral Rhenium(I)-Based Molecular Rectangles
Authors of publication	Wu, Jing-Yun; Thanasekaran, P.; Cheng, Yi-Wei; Lee, Chung-Chou; Manimaran, B.; Rajendran, T.; Liao, Rong-Tang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	2141
a	9.9044 ± 0.0005 Å
b	15.6627 ± 0.0008 Å
c	17.5653 ± 0.0009 Å
α	90°
β	103.424 ± 0.001°
γ	90°
Cell volume	2650.5 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0891
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
178595 (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 4/07/06.	4070616.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070616.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070616.cif
42594	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070616 via cif-deposit CGI script.	4070616.cif