Crystallography Open Database

Information card for entry 7705361

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Coordinates	7705361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H95 Cl N2 O2 P2 Si Ti
Calculated formula	C55 H95 Cl N2 O2 P2 Si Ti
Title of publication	Synthesis of compounds with C-P-P and C[double bond, length as m-dash]P-P bond systems based on the phospha-Wittig reaction.
Authors of publication	Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Pikies, Jerzy; Ponikiewski, Łukasz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	39
Pages of publication	13635 - 13646
a	9.9454 ± 0.0004 Å
b	10.32 ± 0.0005 Å
c	27.9616 ± 0.001 Å
α	100.356 ± 0.003°
β	91.107 ± 0.003°
γ	95.68 ± 0.003°
Cell volume	2807.2 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1363
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2533
Weighted residual factors for all reflections included in the refinement	0.2881
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258837 (current)	2020-11-06	cif/ Updating files of 7705360, 7705361, 7705362, 7705363, 7705364, 7705365, 7705366 Original log message: Adding full bibliography for 7705360--7705366.cif.	7705361.cif
255912	2020-09-05	cif/ Adding structures of 7705360, 7705361, 7705362, 7705363, 7705364, 7705365, 7705366 via cif-deposit CGI script.	7705361.cif