Crystallography Open Database

Information card for entry 1573272

Preview

Coordinates	1573272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 Al2 Cl12 Fe P4
Calculated formula	C42 H58 Al2 Cl12 Fe P4
SMILES	[Fe]123456789[c]%10([P+]%11(P%12[P+](P%11%12)(c%11c(cc(cc%11C(C)C)C(C)C)C(C)C)[c]%112[cH]1[cH]8[cH]3[cH]6%11)c1c(C(C)C)cc(C(C)C)cc1C(C)C)[cH]5[cH]7[cH]4[cH]9%10.[Al](Cl)(Cl)(Cl)[Cl-].[Cl-][Al](Cl)(Cl)Cl.ClCCl.ClCCl
Title of publication	P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.
Authors of publication	Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	139 - 146
a	9.2572 ± 0.0009 Å
b	16.6386 ± 0.0016 Å
c	18.679 ± 0.0018 Å
α	96.852 ± 0.008°
β	99.363 ± 0.008°
γ	94.47 ± 0.008°
Cell volume	2804.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1954
Residual factor for significantly intense reflections	0.1378
Weighted residual factors for significantly intense reflections	0.3601
Weighted residual factors for all reflections included in the refinement	0.4083
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298098 (current)	2025-03-04	cif/ Updating files of 1573270, 1573271, 1573272 Original log message: Adding full bibliography for 1573270--1573272.cif.	1573272.cif
296101	2024-11-26	cif/ Adding structures of 1573270, 1573271, 1573272 via cif-deposit CGI script.	1573272.cif