Crystallography Open Database

Information card for entry 7705403

Preview

Coordinates	7705403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H117 Cu2 N6 P7 Si
Calculated formula	C84 H117 Cu2 N6 P7 Si
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	24.29 ± 0.002 Å
b	25.025 ± 0.002 Å
c	28.319 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	17214 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
257504 (current)	2020-10-06	cif/ Updating files of 7705403, 7705404 Original log message: Adding full bibliography for 7705403--7705404.cif.	7705403.cif
256292	2020-09-10	cif/ Adding structures of 7705403, 7705404 via cif-deposit CGI script.	7705403.cif