Crystallography Open Database

Information card for entry 4084217

Preview

Coordinates	4084217.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MWJ-V-158
Formula	C27 H29 Au Cl5 N3 O2
Calculated formula	C27 H29 Au Cl5 N3 O2
Title of publication	Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.
Authors of publication	Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	16
Pages of publication	4169 - 4172
a	14.3623 ± 0.0009 Å
b	11.9116 ± 0.0008 Å
c	17.6194 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3014.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178731 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/42.	4084217.cif
123101	2014-09-06	cif/ Updating files of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 Original log message: Adding full bibliography for 4084216--4084222.cif.	4084217.cif
122157	2014-08-18	cif/ Adding structures of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 via cif-deposit CGI script.	4084217.cif