Crystallography Open Database

Information card for entry 7035546

Preview

Coordinates	7035546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H75 Ba N3 O Si4
Calculated formula	C36 H75 Ba N3 O Si4
SMILES	C1(C(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)(C)C)=[Ba](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
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	12.583 ± 0.0002 Å
b	20.8237 ± 0.0004 Å
c	17.9449 ± 0.0004 Å
α	90°
β	93.982 ± 0.002°
γ	90°
Cell volume	4690.65 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0486
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
153210 (current)	2015-08-08	cif/ Updating files of 7035544, 7035545, 7035546, 7035547, 7035548 Original log message: Adding full bibliography for 7035544--7035548.cif.	7035546.cif
139625	2015-06-25	cif/ Adding structures of 7035544, 7035545, 7035546, 7035547, 7035548 via cif-deposit CGI script.	7035546.cif