Crystallography Open Database

Information card for entry 1548277

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Coordinates	1548277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H31 Ca2 N5 O13
Calculated formula	C39 H31 Ca2 N5 O13
Title of publication	Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand
Authors of publication	Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	5851
a	21.47 ± 0.03 Å
b	19.39 ± 0.03 Å
c	10.099 ± 0.014 Å
α	90°
β	119.867 ± 0.016°
γ	90°
Cell volume	3646 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1505
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2782
Weighted residual factors for all reflections included in the refinement	0.3305
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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