Crystallography Open Database

Information card for entry 4123695

Preview

Coordinates	4123695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 F6 N4 O12 P Rh
Calculated formula	C40 H44 F6 N4 O12 P Rh
Title of publication	Supramolecular assembly of isocyanorhodium(i) complexes: an interplay of rhodium(i)···rhodium(i) interactions, hydrophobic-hydrophobic interactions, and host-guest chemistry.
Authors of publication	Chan, Alan Kwun-Wa; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	21
Pages of publication	6920 - 6931
a	16.4929 ± 0.0014 Å
b	19.9021 ± 0.0016 Å
c	22.3353 ± 0.0018 Å
α	100.322 ± 0.002°
β	98.56 ± 0.002°
γ	106.549 ± 0.002°
Cell volume	6756.9 ± 1 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	0.171
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	4123695.cif
138232	2015-06-05	cif/ Updating files of 4123695 Original log message: Adding full bibliography for 4123695.cif.	4123695.cif
136992	2015-05-20	cif/ Adding structures of 4123695 via cif-deposit CGI script.	4123695.cif