Crystallography Open Database

Information card for entry 4001943

4001942 << 4001943 >> 4001944

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Coordinates	4001943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C153 H169 In6 N27 O63
Calculated formula	C108 H60 In6 N12 O48
Title of publication	Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family
Authors of publication	Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	9
Pages of publication	2943
a	32.092 ± 0.018 Å
b	34.184 Å
c	34.184 ± 0.019 Å
α	90°
β	90°
γ	90°
Cell volume	37501 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2569
Weighted residual factors for all reflections included in the refinement	0.2762
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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