Crystallography Open Database

Information card for entry 4076345

Preview

Coordinates	4076345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 Au N4 O3 P
Calculated formula	C64 H80 Au N4 O3 P
Title of publication	Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex
Authors of publication	Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2184
a	20.1203 ± 0.0008 Å
b	15.9161 ± 0.0006 Å
c	18.5991 ± 0.0007 Å
α	90°
β	104.265 ± 0.002°
γ	90°
Cell volume	5772.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0519
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178652 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/63.	4076345.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076345.cif
51930	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076338, 4076339, 4076340, 4076341, 4076342, 4076343, 4076344, 4076345 via cif-deposit CGI script.	4076345.cif