Crystallography Open Database

Information card for entry 4065335

Preview

Coordinates	4065335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 B F4 N4 O3 Rh
Calculated formula	C33 H36 B F4 N4 O3 Rh
Title of publication	Aggregation and DNA Intercalation Properties of Di(isocyano) Rhodium(I) Diimine Complexes
Authors of publication	Lo, Larry Tso-Lun; Chu, Wing-Kin; Tam, Chun-Yat; Yiu, Shek-Man; Ko, Chi-Chiu; Chiu, Sung-Kay
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	21
Pages of publication	5873
a	8.1806 ± 0.00013 Å
b	12.82265 ± 0.00019 Å
c	31.1555 ± 0.0004 Å
α	90°
β	91.7411 ± 0.0013°
γ	90°
Cell volume	3266.61 ± 0.08 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.043
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178546 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53.	4065335.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065335.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065335.cif
33254	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065335 via cif-deposit CGI script.	4065335.cif