Crystallography Open Database

Information card for entry 4305737

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Coordinates	4305737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C350.5 H299.5 Mn16 N33.5 O64
Calculated formula	C350.5 H208 Mn16 N33.5 O64
Title of publication	Novel 48-Membered Hexadecanuclear and 60-Membered Icosanuclear Manganese Metallamacrocycles
Authors of publication	Wenlong Liu; Kyungjin Lee; Mira Park; Rohith P. John; Dohyun Moon; Yang Zou; Xinfang Liu; Hyeong-Cheol Ri; Ghyung Hwa Kim; Myoung Soo Lah
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8807 - 8812
a	26.669 ± 0.005 Å
b	28.258 ± 0.006 Å
c	30.076 ± 0.006 Å
α	92.1 ± 0.03°
β	94.25 ± 0.03°
γ	108.33 ± 0.03°
Cell volume	21413 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1157
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.2018
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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