Crystallography Open Database

Information card for entry 7121804

Preview

Coordinates	7121804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 N3 Sc Si3
Calculated formula	C42 H72 N3 Sc Si3
Title of publication	Rare earth arylsilazido compounds with inequivalent secondary interactions.
Authors of publication	Boteju, Kasuni C.; Wan, Suchen; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	53
Pages of publication	7318 - 7321
a	12.3546 ± 0.0005 Å
b	20.0869 ± 0.001 Å
c	35.9838 ± 0.0019 Å
α	90°
β	90.113 ± 0.002°
γ	90°
Cell volume	8929.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
228090 (current)	2019-11-17	cif/ Updating files of 7121802, 7121803, 7121804, 7121805 Original log message: Adding full bibliography for 7121802--7121805.cif.	7121804.cif
208113	2018-06-05	cif/ Adding structures of 7121802, 7121803, 7121804, 7121805 via cif-deposit CGI script.	7121804.cif