Crystallography Open Database

Information card for entry 4325270

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Coordinates	4325270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 B Mn N9 O4.5
Calculated formula	C37 H59 B Mn N9 O4.5
Title of publication	Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates
Authors of publication	Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5153 - 5164
a	9.6732 ± 0.0002 Å
b	23.2168 ± 0.0004 Å
c	18.5506 ± 0.0004 Å
α	90°
β	98.031 ± 0.0009°
γ	90°
Cell volume	4125.25 ± 0.14 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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