Crystallography Open Database

Information card for entry 7000640

Preview

Coordinates	7000640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.8 H31.18 Cu2 N2 O8
Calculated formula	C33.796 H31.184 Cu2 N2 O8
Title of publication	Structural susceptibility of gas inclusion crystal to external gas pressure and temperature: force guide role of channel
Authors of publication	Takamizawa, Satoshi; Nakata, Ei-ichi; Miyake, Ryosuke
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	10
Pages of publication	1752 - 1760
a	18.563 ± 0.003 Å
b	9.7095 ± 0.0013 Å
c	19.354 ± 0.003 Å
α	90°
β	99.259 ± 0.003°
γ	90°
Cell volume	3442.9 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.1542
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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