Crystallography Open Database

Information card for entry 7709174

Preview

Coordinates	7709174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H132 Fe K2 N5 O4 P Si6
Calculated formula	C61 H132 Fe K2 N5 O4 P Si6
Title of publication	Synthesis of the open-shell 3d-transition metal(II) bis(phosphinidenide) [Mn{P(sIDipp)}<sub>2</sub>].
Authors of publication	Weller, Ruth; Balmer, Markus; Hänisch, Carsten von; Gunnar Werncke, C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1765 - 1768
a	16.989 ± 0.0017 Å
b	26.471 ± 0.003 Å
c	18.6846 ± 0.0019 Å
α	90°
β	103.571 ± 0.008°
γ	90°
Cell volume	8168.2 ± 1.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	0.896
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272669 (current)	2022-02-04	cif/ Updating files of 7709171, 7709172, 7709173, 7709174 Original log message: Adding full bibliography for 7709171--7709174.cif.	7709174.cif
271628	2021-12-26	cif/ Adding structures of 7709171, 7709172, 7709173, 7709174 via cif-deposit CGI script.	7709174.cif