Crystallography Open Database

Information card for entry 7117843

Preview

Coordinates	7117843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H32 F6 Ir N6 O P
Calculated formula	C46 H30 F6 Ir N6 O P
Title of publication	Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons
Authors of publication	Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14785
a	13.99 ± 0.0003 Å
b	15.425 ± 0.0003 Å
c	23.9686 ± 0.0007 Å
α	104.571 ± 0.001°
β	106.453 ± 0.001°
γ	93.491 ± 0.001°
Cell volume	4752.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0722
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117843.cif
158283	2015-09-24	cif/ Adding structures of 7117843, 7117844, 7117845, 7117846 via cif-deposit CGI script.	7117843.cif