Crystallography Open Database

Information card for entry 4511338

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Coordinates	4511338.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	10.0604 ± 0.0005 Å
b	10.1121 ± 0.0006 Å
c	13.2151 ± 0.0008 Å
α	75.664 ± 0.0018°
β	68.6105 ± 0.0015°
γ	65.3574 ± 0.0015°
Cell volume	1130.52 ± 0.11 Å³
Cell temperature	363.1 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	0.0386
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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