Crystallography Open Database

Information card for entry 7019825

7019824 << 7019825 >> 7019826

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Coordinates	7019825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H159 Cl5 Mg4 N43 O2
Calculated formula	C312 H159 Cl5 Mg4 N43 O2
Title of publication	Formation of μ(2)-hydroxo-bonded (MgPc)(2)OH(-) assemblies and (C(60)(-))(2) dimers in ionic fullerene {(MgPc)(2)OH(-)}(2)·(C(60)(-))(2)·(cation(+))(4) complexes.
Authors of publication	Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	30
Pages of publication	9170 - 9175
a	30.0392 ± 0.001 Å
b	37.2899 ± 0.0015 Å
c	20.0992 ± 0.0006 Å
α	90°
β	90.219 ± 0.003°
γ	90°
Cell volume	22514.1 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179902 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98.	7019825.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019825.cif
64323	2012-08-12	cif/ Adding structures of 7019824, 7019825 via cif-deposit CGI script.	7019825.cif