Crystallography Open Database

Information card for entry 7060386

Preview

Coordinates	7060386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H94 B2 Fe N3 P3
Calculated formula	C114 H94 B2 Fe N3 P3
Title of publication	Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles
Authors of publication	Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	9
Pages of publication	4427 - 4436
a	15.2667 ± 0.0014 Å
b	15.9297 ± 0.0014 Å
c	40.09 ± 0.004 Å
α	90°
β	99.585 ± 0.003°
γ	90°
Cell volume	9613.5 ± 1.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.1365
Residual factor for significantly intense reflections	0.1147
Weighted residual factors for significantly intense reflections	0.2579
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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