Crystallography Open Database

Information card for entry 2003654

2003653 << 2003654 >> 2003655

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Coordinates	2003654.cif
Original IUCr paper	HTML

Structure parameters

Formula	C100 H84 Mn6 N22 O68
Calculated formula	C104 H78 Mn6 N22 O67
Title of publication	[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]
Authors of publication	Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	7
Pages of publication	1263 - 1267
a	23.512 ± 0.004 Å
b	23.861 ± 0.004 Å
c	22.417 ± 0.004 Å
α	90°
β	103.16 ± 0.01°
γ	90°
Cell volume	12246 ± 4 Å³
Cell temperature	120 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
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.0666
Goodness-of-fit parameter for significantly intense reflections	1.415
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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