Crystallography Open Database

Information card for entry 4514311

Preview

Coordinates	4514311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Mn2 N2 O15
Calculated formula	C18 H16 Mn2 N2 O15
Title of publication	Zwitterionic Manganese and Gadolinium Metal-Organic Frameworks as Efficient Contrast Agents for in Vivo Magnetic Resonance Imaging.
Authors of publication	Qin, Liang; Sun, Zi-Yan; Cheng, Kai; Liu, Shu-Wen; Pang, Jian-Xin; Xia, Li-Ming; Chen, Wen-Hua; Cheng, Zhen; Chen, Jin-Xiang
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	47
Pages of publication	41378 - 41386
a	7.591 ± 0.0005 Å
b	17.6666 ± 0.0012 Å
c	15.5193 ± 0.0011 Å
α	90°
β	98.904 ± 0.002°
γ	90°
Cell volume	2056.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0743
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203924 (current)	2017-12-04	cif/ Adding structures of 4514311, 4514312 via cif-deposit CGI script.	4514311.cif