Crystallography Open Database

Information card for entry 4088109

Preview

Coordinates	4088109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H66 Au2 N2
Calculated formula	C62 H66 Au2 N2
SMILES	[Au]12(c3cc(C(C)(C)C)ccc3c3[n]1c(ccc3)c1c2cc(cc1)C(C)(C)C)[Au]12c3c(c4[n]1c(c1c2cc(cc1)C(C)(C)C)ccc4)ccc(c3)C(C)(C)C.c1ccccc1.c1ccccc1
Title of publication	Photochemical Disproportionation of an AuIIPincer Complex: Synthesis and Structure of an AuI4AuIII4Macrocycle
Authors of publication	Roşca, Dragoş-Adrian; Bochmann, Manfred
Journal of publication	Organometallics
Year of publication	2015
Journal volume	35
Journal issue	1
Pages of publication	27
a	12.609 ± 0.002 Å
b	26.9775 ± 0.0015 Å
c	17.476 ± 0.002 Å
α	90°
β	121.135 ± 0.008°
γ	90°
Cell volume	5088.3 ± 1.1 Å³
Cell temperature	138 ± 2 K
Ambient diffraction temperature	138 ± 2 K
Number of distinct elements	4
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	0.0417
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
237277 (current)	2019-11-24	cif/ Adding structures of 4088108, 4088109 via cif-deposit CGI script.	4088109.cif