Crystallography Open Database

Information card for entry 4511336

Preview

Coordinates	4511336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Ni3 O20
Calculated formula	C18 H10 Ni3 O20
Title of publication	Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer
Authors of publication	Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	6
Pages of publication	1205
a	10.0508 ± 0.0005 Å
b	10.1032 ± 0.0005 Å
c	13.1931 ± 0.0008 Å
α	75.7076 ± 0.0019°
β	68.6728 ± 0.0015°
γ	65.407 ± 0.0015°
Cell volume	1127.51 ± 0.11 Å³
Cell temperature	333.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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