Crystallography Open Database

Information card for entry 7056832

Preview

Coordinates	7056832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 Cl6 N6 O4 Rh
Calculated formula	C36 H35 Cl6 N6 O4 Rh
Title of publication	Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)
Authors of publication	Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	1853
a	9.108 ± 0.005 Å
b	15.326 ± 0.007 Å
c	15.923 ± 0.003 Å
α	70.18 ± 0.03°
β	76.95 ± 0.03°
γ	91.43 ± 0.04°
Cell volume	2024.5 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
230567 (current)	2019-11-17	cif/ Updating files of 7056828, 7056829, 7056830, 7056831, 7056832, 7056833, 7056834, 7056835, 7056836, 7056837, 7056838 Original log message: Adding full bibliography for 7056828--7056838.cif.	7056832.cif
204388	2017-12-20	cif/ Adding structures of 7056828, 7056829, 7056830, 7056831, 7056832, 7056833, 7056834, 7056835, 7056836, 7056837, 7056838 via cif-deposit CGI script.	7056832.cif