Crystallography Open Database

Information card for entry 7039482

Preview

Coordinates	7039482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H37.48 B0.21 Cl1.79 F0.84 N6 O0.24 Rh
Calculated formula	C23 H37 B0.208 Cl1.792 F0.832 N6 O0.237 Rh
Title of publication	Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.
Authors of publication	Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	40
Pages of publication	15859 - 15871
a	9.4774 ± 0.0004 Å
b	17.4666 ± 0.0007 Å
c	15.7881 ± 0.0006 Å
α	90°
β	92.342 ± 0.004°
γ	90°
Cell volume	2611.35 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0367
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
188216 (current)	2016-11-08	cif/ Updating files of 7039479, 7039480, 7039481, 7039482 Original log message: Adding full bibliography for 7039479--7039482.cif.	7039482.cif
183388	2016-06-11	cif/ Adding structures of 7039479, 7039480, 7039481, 7039482 via cif-deposit CGI script.	7039482.cif