Crystallography Open Database

Information card for entry 4332897

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Coordinates	4332897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 N20 Ni2 O S4
Calculated formula	C45 H35 N20 Ni2 O S4
Title of publication	Functionalities of One-Dimensional Dynamic Ultramicropores in Nickel(II) Coordination Polymers
Authors of publication	Noro, Shin-ichiro; Kitaura, Ryo; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	22
Pages of publication	8990 - 8997
a	18.003 ± 0.002 Å
b	30.929 ± 0.004 Å
c	19.443 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10826 ± 2 Å³
Cell temperature	223.1 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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