Crystallography Open Database

Information card for entry 4345044

Preview

Coordinates	4345044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H72 N21 Nd3 O38 Zn6
Calculated formula	C62 H51 N18 Nd3 O35 Zn6
Title of publication	Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.
Authors of publication	Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1713 - 1721
a	16.1437 ± 0.0009 Å
b	33.5774 ± 0.0019 Å
c	16.8582 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9138.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1739
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193453 (current)	2017-03-04	cif/ Updating files of 4345043, 4345044 Original log message: Adding full bibliography for 4345043--4345044.cif.	4345044.cif
190669	2017-01-19	cif/ Adding structures of 4345044 via cif-deposit CGI script.	4345044.cif