Crystallography Open Database

Information card for entry 4067782

Preview

Coordinates	4067782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H100 F12 Ir4 N8 O16 S4
Calculated formula	C95 H100 F9 Ir4 N8 O13 S3
Title of publication	[2+2] Photodimerization in the Solid State Aided by Molecular Templates of Rectangular Macrocycles Bearing Oxamidato Ligands
Authors of publication	Zhang, Wan-Zheng; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	13
Pages of publication	2842
a	15.272 ± 0.006 Å
b	16.769 ± 0.007 Å
c	22.522 ± 0.01 Å
α	101.9 ± 0.006°
β	95.976 ± 0.006°
γ	94.781 ± 0.006°
Cell volume	5581 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1287
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	0.833
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
178568 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77.	4067782.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067782.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067782.cif
34290	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067778, 4067779, 4067780, 4067781, 4067782 via cif-deposit CGI script.	4067782.cif