Crystallography Open Database

Information card for entry 7035547

Preview

Coordinates	7035547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H79 Ba N3 O Si4
Calculated formula	C39 H79 Ba N3 O Si4
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	12.0901 ± 0.0001 Å
b	18.1027 ± 0.0002 Å
c	23.5571 ± 0.0002 Å
α	90°
β	98.407 ± 0.001°
γ	90°
Cell volume	5100.39 ± 0.08 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	0.025
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7035547.cif
139625	2015-06-25	cif/ Adding structures of 7035544, 7035545, 7035546, 7035547, 7035548 via cif-deposit CGI script.	7035547.cif