Crystallography Open Database

Information card for entry 4131703

Preview

Coordinates	4131703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H144 Au8 N8 Se4
Calculated formula	C108 H144 Au8 N8 Se4
SMILES	C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au][Se]1[Au][Se]([Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au][Se]([Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au][Se]([Au]1)[Au]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.
Authors of publication	Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	40
Pages of publication	14045 - 14048
a	18.451 ± 0.005 Å
b	18.451 Å
c	16.458 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5603 ± 3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
241873 (current)	2019-11-25	cif/ Adding structures of 4131700, 4131701, 4131702, 4131703, 4131704 via cif-deposit CGI script.	4131703.cif