Crystallography Open Database

Information card for entry 4111464

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Coordinates	4111464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 B Fe N3 P3
Calculated formula	C51 H47 B Fe N3 P3
Title of publication	Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers
Authors of publication	Steven D. Brown; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1913 - 1923
a	13.0738 ± 0.001 Å
b	14.2209 ± 0.0011 Å
c	14.6878 ± 0.0012 Å
α	118.227 ± 0.001°
β	95.229 ± 0.001°
γ	111.09 ± 0.001°
Cell volume	2128.4 ± 0.3 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.809
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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