Crystallography Open Database

Information card for entry 1543955

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Structure parameters

Formula	C56 H66 B N O5 Ru
Calculated formula	C56 H66 B N O5 Ru
SMILES	[Ru]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C)C)[cH]1[cH]5[cH]6[cH]8[c]27cccc[c]912.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
Title of publication	Synthesis of amino acid esters of the ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)]+
Authors of publication	Dmitry S. Perekalin; Alexander P. Molotkov; Yulia V. Nelyubina; Natalia Yu. Anisimova; Alexander R. Kudinov
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	390 - 393
a	10.4196 ± 0.0007 Å
b	10.4844 ± 0.0007 Å
c	45.63 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4984.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543955.cif 1543955.hkl
185958	2016-08-23	cif/ hkl/ Adding structures of 1543955 via cif-deposit CGI script.	1543955.cif 1543955.hkl