Crystallography Open Database

Information card for entry 4300924

Preview

Coordinates	4300924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H53 Mn3 N9 O12
Calculated formula	C51 H53 Mn3 N9 O12
Title of publication	Size and Shape Selectivity of Host Networks Built Based on Tunable Secondary Building Units
Authors of publication	Dohyun Moon; Myoung Soo Lah
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1934 - 1940
a	40.4245 ± 0.0015 Å
b	40.4245 ± 0.0015 Å
c	17.8143 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	29111 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2545
Weighted residual factors for all reflections included in the refinement	0.271
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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