Crystallography Open Database

Information card for entry 7108923

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Coordinates	7108923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H90 Fe2 P10 Sm2
Calculated formula	C60 H90 Fe2 P10 Sm2
SMILES	[Sm]123456789([P]%10%11[Fe]%12%13%14%15%16%17(P%10[P]%10%12[Sm]%12%18%19%20%21%22%23%24([P]%25%26[Fe]%27%28%29%30%31%32(P([P]1(P%11P%13%10)P%26%28)P%25%27)[c]1([c]%29([c]%30([c]%31([c]%321C)C)C)C)C)([c]1([c]%12([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%21([c]%22([c]%23([c]%241C)C)C)C)C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
Title of publication	P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes
Authors of publication	Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	22
Pages of publication	2183 - 2185
a	14.8642 ± 0.0005 Å
b	15.0687 ± 0.0005 Å
c	17.7081 ± 0.0006 Å
α	68.847 ± 0.003°
β	77.695 ± 0.003°
γ	63.804 ± 0.002°
Cell volume	3312.3 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0452
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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