Crystallography Open Database

Information card for entry 7019824

7019823 << 7019824 >> 7019825

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Coordinates	7019824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C304 H162 Mg4 N44 O2
Calculated formula	C304 H162 Mg4 N44 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	37.59 ± 0.001 Å
b	19.892 ± 0.001 Å
c	29.9544 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	22398.1 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	7019824.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019824.cif
64323	2012-08-12	cif/ Adding structures of 7019824, 7019825 via cif-deposit CGI script.	7019824.cif