Crystallography Open Database

Information card for entry 7705404

Preview

Coordinates	7705404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H116 Au3 N6 O P7
Calculated formula	C85 H116 Au3 N6 O P7
SMILES	[Au](P1P2P([Au]=C3N(c4c(C(C)C)cccc4C(C)C)C=CN3c3c(C(C)C)cccc3C(C)C)P3P(P2[Au]=C2N(C=CN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)P13)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1
Title of publication	Incorporation of coinage metal-NHC complexes into heptaphosphide clusters.
Authors of publication	Jo, Minyoung; Li, Jingbai; Dragulescu-Andrasi, Alina; Rogachev, Andrey Yu; Shatruk, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	12955 - 12959
a	18.4686 ± 0.0002 Å
b	17.4445 ± 0.0001 Å
c	34.225 ± 0.0003 Å
α	90°
β	125.216 ± 0.001°
γ	90°
Cell volume	9008.44 ± 0.18 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0382
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257504 (current)	2020-10-06	cif/ Updating files of 7705403, 7705404 Original log message: Adding full bibliography for 7705403--7705404.cif.	7705404.cif
256292	2020-09-10	cif/ Adding structures of 7705403, 7705404 via cif-deposit CGI script.	7705404.cif