Crystallography Open Database

Information card for entry 1544068

Preview

Coordinates	1544068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 N5 Nd2 O18
Calculated formula	C32 H35 N5 Nd2 O18
Title of publication	A three-dimensional Nd(iii)-based metal‒organic framework as a smart drug carrier
Authors of publication	Du, Pei-Yao; Gu, Wen; Liu, Xin
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9017
a	11.09 ± 0.002 Å
b	11.32 ± 0.002 Å
c	16.243 ± 0.003 Å
α	74.94 ± 0.03°
β	82.76 ± 0.03°
γ	75.06 ± 0.03°
Cell volume	1898.7 ± 0.7 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2344
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1544068.html