Crystallography Open Database

Information card for entry 7035548

Preview

Coordinates	7035548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H159 K N6 Si6 Sr
Calculated formula	C87 H159 K N6 Si6 Sr
SMILES	[K](=C1C2(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)CCCCC2)(=C1C2(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)CCCCC2)=C1C2(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)CCCCC2.N([Si](C)(C)C)([Si](C)(C)C)[Sr](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.
Authors of publication	Turner, Zoë R; Buffet, Jean-Charles
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	29
Pages of publication	12985 - 12989
a	20.6446 ± 0.0006 Å
b	20.6446 ± 0.0006 Å
c	20.1037 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	7420.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
153210 (current)	2015-08-08	cif/ Updating files of 7035544, 7035545, 7035546, 7035547, 7035548 Original log message: Adding full bibliography for 7035544--7035548.cif.	7035548.cif
139625	2015-06-25	cif/ Adding structures of 7035544, 7035545, 7035546, 7035547, 7035548 via cif-deposit CGI script.	7035548.cif