Crystallography Open Database

Information card for entry 2311916

2311915 << 2311916 >> 2311917

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Coordinates	2311916.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)lutetium methanol disolvate
Formula	C54 H92 Cl Lu O14 P2
Calculated formula	C54 H92 Cl Lu O14 P2
SMILES	c1(c(cccc1C(C)C)C(C)C)OP(=O)(O[Lu]([OH]C)([OH]C)(Cl)([OH]C)([OH]C)OP(=O)(Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C)Oc1c(cccc1C(C)C)C(C)C.OC.CO
Title of publication	Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.
Authors of publication	Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	820 - 827
a	16.877 ± 0.002 Å
b	12.443 ± 0.0017 Å
c	30.404 ± 0.004 Å
α	90°
β	104.231 ± 0.002°
γ	90°
Cell volume	6188.9 ± 1.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
246166 (current)	2019-12-26	cif/ Adding structures of 2311915, 2311916, 2311917, 2311918 via cif-deposit CGI script.	2311916.cif