Crystallography Open Database

Information card for entry 1512835

Preview

Coordinates	1512835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H39 Mn Ni O3
Calculated formula	C34.5 H39 Mn Ni O3
SMILES	[c]123c(c4c(c([c]51[cH]1[c]6([cH]2[Mn]3516(C#[O])(C#[O])C#[O])CC)C)[cH]1[Ni]23567([c]1(CC)[cH]42)[c]1([c]3([c]5([c]6([c]71C)C)C)C)C)C.Cc1ccccc1
Title of publication	Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer
Authors of publication	Cesar Morales-Verdejo; Ivan Martinez; Desmond Mac-Leod Carey; Ivonne Chavez; Juan Manuel Manriquez; Dimitri Matioszek; Nathalie Saffon; Annie Castel; Pierre Riviere; Elies Molins
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	752 - 756
a	7.4299 ± 0.0005 Å
b	14.9559 ± 0.0011 Å
c	14.9648 ± 0.0011 Å
α	106.682 ± 0.003°
β	95.536 ± 0.003°
γ	102.028 ± 0.003°
Cell volume	1536.11 ± 0.19 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512835.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512835.cif
90982	2013-11-22	cif/ Adding structures of 1512835 via cif-deposit CGI script.	1512835.cif