Crystallography Open Database

Information card for entry 7121803

Preview

Structure parameters

Formula	C57.5 H98 N3 O Si3 Y
Calculated formula	C57.5 H98 N3 O Si3 Y
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	18.7125 ± 0.0003 Å
b	31.04 ± 0.0006 Å
c	20.6586 ± 0.0004 Å
α	90°
β	93.071 ± 0.001°
γ	90°
Cell volume	11982 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0542
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7121803.cif
228090	2019-11-17	cif/ Updating files of 7121802, 7121803, 7121804, 7121805 Original log message: Adding full bibliography for 7121802--7121805.cif.	7121803.cif
208113	2018-06-05	cif/ Adding structures of 7121802, 7121803, 7121804, 7121805 via cif-deposit CGI script.	7121803.cif