Crystallography Open Database

Information card for entry 4519034

4519033 << 4519034 >> 4519035

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Coordinates	4519034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 Fe3 N6 O14
Calculated formula	C40 H24 Fe3 N6 O14
Title of publication	Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.
Authors of publication	Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	37
Pages of publication	44956 - 44963
a	37.708 ± 0.0007 Å
b	37.708 ± 0.0007 Å
c	37.708 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	53616.8 ± 1.7 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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