Crystallography Open Database

Information card for entry 4306427

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Structure parameters

Formula	C84 H60 N12 P6 Sm2
Calculated formula	C84 H60 N12 P6 Sm2
SMILES	c1([n]23[n]4(c(p1)c1ccccc1)[Sm]1562(n2c(pc([n]12)c1ccccc1)c1ccccc1)(n1c(pc([n]51)c1ccccc1)c1ccccc1)[n]12c(pc([n]61[Sm]15342(n2c(pc([n]12)c1ccccc1)c1ccccc1)n1c(pc([n]51)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	1,2,4-Diazaphospholide Complexes of Samarium(III)
Authors of publication	Chengfu Pi; Li Wan; Yingying Gu; Wenjun Zheng; Linhong Weng; Zhenxia Chen; Limin Wu
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9739 - 9741
a	12.132 ± 0.005 Å
b	13.45 ± 0.006 Å
c	15.012 ± 0.006 Å
α	109.856 ± 0.005°
β	102.917 ± 0.005°
γ	108.119 ± 0.005°
Cell volume	2035.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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