Crystallography Open Database

Information card for entry 7709172

Preview

Coordinates	7709172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H90 K Mn N5 O6 Si6
Calculated formula	C36 H90 K Mn N5 O6 Si6
SMILES	[Mn](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]5CC[O]1CC9)CC[O]4CC8
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	11.4888 ± 0.0009 Å
b	15.4353 ± 0.0012 Å
c	16.6387 ± 0.0012 Å
α	84.19 ± 0.006°
β	77.76 ± 0.006°
γ	89.53 ± 0.006°
Cell volume	2868.4 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7709172.cif
272669	2022-02-04	cif/ Updating files of 7709171, 7709172, 7709173, 7709174 Original log message: Adding full bibliography for 7709171--7709174.cif.	7709172.cif
271628	2021-12-26	cif/ Adding structures of 7709171, 7709172, 7709173, 7709174 via cif-deposit CGI script.	7709172.cif