Crystallography Open Database

Information card for entry 7710345

Preview

Coordinates	7710345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 B Ce O2
Calculated formula	C38 H64 B Ce O2
SMILES	[Ce]12345678([O]9CCCC9)(OB9C%10CCCC9CCC%10)([cH]9[c]1([cH]8[c]3([cH]29)C(C)(C)C)C(C)(C)C)[cH]1[c]5([cH]7[cH]6[c]41C(C)(C)C)C(C)(C)C
Title of publication	Reactivity studies on lanthanum and cerium hydrido metallocenes.
Authors of publication	Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	24
Pages of publication	9241 - 9246
a	10.5206 ± 0.0003 Å
b	19.3399 ± 0.0005 Å
c	18.2318 ± 0.0005 Å
α	90°
β	93.152 ± 0.002°
γ	90°
Cell volume	3703.96 ± 0.18 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
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	0.0407
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
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
276607 (current)	2022-07-06	cif/ Updating files of 7710344, 7710345, 7710346, 7710347, 7710348, 7710349, 7710350, 7710351, 7710352 Original log message: Adding full bibliography for 7710344--7710352.cif.	7710345.cif
275649	2022-05-26	cif/ Adding structures of 7710344, 7710345, 7710346, 7710347, 7710348, 7710349, 7710350, 7710351, 7710352 via cif-deposit CGI script.	7710345.cif