Crystallography Open Database

Information card for entry 4346672

Preview

Coordinates	4346672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H65 Cd2 Cl2 F8 I6 Ir2 N12 O2
Calculated formula	C97 H65 Cd2 Cl2 F8 I6 Ir2 N12 O2
Title of publication	Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.
Authors of publication	Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	21
Pages of publication	10429 - 10439
a	15.0314 ± 0.0003 Å
b	33.2661 ± 0.0007 Å
c	11.2295 ± 0.0003 Å
α	90°
β	97.85 ± 0.0011°
γ	90°
Cell volume	5562.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
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	0.0664
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
231913 (current)	2019-11-23	cif/ Adding structures of 4346670, 4346671, 4346672, 4346673 via cif-deposit CGI script.	4346672.cif