Crystallography Open Database

Information card for entry 7035579

Preview

Coordinates	7035579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 B2 N O2 P2 S Si Y
Calculated formula	C36 H54 B2 N O2 P2 S Si Y
Title of publication	Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.
Authors of publication	Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13662 - 13670
a	9.843 ± 0.002 Å
b	11.425 ± 0.002 Å
c	36.05 ± 0.007 Å
α	90°
β	97.48 ± 0.03°
γ	90°
Cell volume	4019.6 ± 1.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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
153137 (current)	2015-08-08	cif/ Updating files of 7035578, 7035579, 7035580, 7035581, 7035582, 7035583, 7035584, 7035585 Original log message: Adding full bibliography for 7035578--7035585.cif.	7035579.cif
139793	2015-06-30	cif/ Adding structures of 7035578, 7035579, 7035580, 7035581, 7035582, 7035583, 7035584, 7035585 via cif-deposit CGI script.	7035579.cif