Crystallography Open Database

Information card for entry 4514505

Preview

Coordinates	4514505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N7 Nd2 O19
Calculated formula	C27 H23 N7 Nd2 O19
Title of publication	Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.
Authors of publication	Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	26
Pages of publication	23192 - 23197
a	10.2658 ± 0.0003 Å
b	17.439 ± 0.0005 Å
c	11.4882 ± 0.0003 Å
α	90°
β	109.892 ± 0.004°
γ	90°
Cell volume	1933.97 ± 0.11 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219690 (current)	2019-10-28	cif/ Adding structures of 4514505 via cif-deposit CGI script.	4514505.cif