Crystallography Open Database

Information card for entry 7114955

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Structure parameters

Formula	C51 H99 Cl Li N15 P6
Calculated formula	C51 H99 Cl Li N15 P6
Title of publication	Cooperative cation and anion coordination by a bifunctional imidophosphorane ligand framework; syntheses and structures of [LiCl{ButNHP(μ-NBut)2PNH(2-py)}3] and [{ButNP(μ-NBut)2PN(2-py)} Li2·{Li(ButN)2P}]
Authors of publication	Bond, Andrew D.; Doyle, Emma L.; Kidd, Sara J.; Woods, Anthony D.; Wright, Dominic S.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	8
Pages of publication	777
a	22.563 ± 0.002 Å
b	22.563 ± 0.002 Å
c	23.803 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	10494.4 ± 1.4 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1816
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7114955.cif
180263	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49.	7114955.cif
118445	2014-06-30	cif/ Adding structures of 7114954, 7114955 via cif-deposit CGI script.	7114955.cif