Crystallography Open Database

Information card for entry 7113389

Preview

Coordinates	7113389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H124 N10 O4 P2 Sm2
Calculated formula	C70 H108 N10 O4 P2 Sm2
Title of publication	A first oxalamidino complex of samarium via reduction-coupling of carbodiimine: synthesis and molecular structure of [eta4-C2(NR)4][(MeC5H4)2Sm(HMPA)]2.2THF (R = Pr i, Cy).
Authors of publication	Deng, Mingyu; Yao, Yingmin; Zhang, Yong; Shen, Qi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	23
Pages of publication	2742 - 2743
a	26.679 ± 0.005 Å
b	15.22 ± 0.002 Å
c	21.545 ± 0.004 Å
α	90°
β	114.29 ± 0.02°
γ	90°
Cell volume	7974 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7113389.cif
114618	2014-05-28	cif/ Adding structures of 7113389 via cif-deposit CGI script.	7113389.cif