Crystallography Open Database

Information card for entry 4107335

Preview

Coordinates	4107335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H18 Cl2 La2
Calculated formula	C96 H18 Cl2 La2
Title of publication	Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)
Authors of publication	Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1171 - 1176
a	21.966 ± 0.003 Å
b	22.066 ± 0.003 Å
c	20.473 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9923 ± 2 Å³
Cell temperature	188 K
Ambient diffraction temperature	188 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178819 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73.	4107335.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107335.cif
55000	2012-05-02	cif/ Adding structures of 4107335 via cif-deposit CGI script.	4107335.cif