Crystallography Open Database

Information card for entry 4075726

Preview

Coordinates	4075726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 B F15 Hf N4 P2
Calculated formula	C36 H42 B F15 Hf N4 P2
SMILES	[Hf]12(N(P3[N]2(P(N1C(C)(C)C)N3C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)[CH3][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane
Authors of publication	Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	6
Pages of publication	1336
a	12.168 ± 0.001 Å
b	19.986 ± 0.001 Å
c	17.984 ± 0.001 Å
α	90°
β	103.561 ± 0.002°
γ	90°
Cell volume	4251.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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