Crystallography Open Database

Information card for entry 2020698

2020697 << 2020698 >> 2020699

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Structure parameters

Chemical name	<i>catena</i>-Poly[[carbonylruthenium(II)]-μ-2,7,12,17-tetrakis[2-(ethoxycarbonyl)ethyl]-3,8,13,18-tetramethylporphyrinato-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':<i>O</i>]
Formula	C45 H52 N4 O9 Ru
Calculated formula	C45 H52 N4 O9 Ru
SMILES	[Ru]123(n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C=c4c(c5CCC(=O)OCC)C)c(c2C)CCC(=O)OCC)c(c3C)CCC(=O)OCC)c(c6C)CCC(=O)OCC)(C#[O])[O]=C(CCc1c2[n]3[Ru]45([n]6c(=Cc7n5c(C=c3c1C)c(c7C)CCC(=O)OCC)c(c(c6C=c1n4c(=C2)c(c1CCC(=O)OCC)C)C)CCC(=O)OCC)C#[O])OCC
Title of publication	Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study
Authors of publication	Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	1
Pages of publication	47 - 51
a	39.3876 ± 0.0019 Å
b	9.6153 ± 0.0008 Å
c	29.5299 ± 0.0016 Å
α	90°
β	130.719 ± 0.007°
γ	90°
Cell volume	8476.3 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Goodness-of-fit parameter for all reflections	3.0929
Method of determination	powder diffraction
Diffraction radiation wavelength	0.399927 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
191422 (current)	2017-02-04	cif/ Updating files of 2020698 Original log message: Adding full bibliography for 2020698.cif.	2020698.cif 2020698.hkl
189080	2016-12-13	cif/ hkl/ Adding structures of 2020698 via cif-deposit CGI script.	2020698.cif 2020698.hkl