Crystallography Open Database

Information card for entry 7701454

Preview

Coordinates	7701454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Cd4.5 Ge8 N13 O59 V12
Calculated formula	C36 H48 Cd4.5 Ge8 N13 O59 V12
Title of publication	Two novel 3D borates: porous-layer and layer-pillar frameworks.
Authors of publication	Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	12
Pages of publication	3824 - 3829
a	17.193 ± 0.003 Å
b	23.511 ± 0.005 Å
c	26.373 ± 0.005 Å
α	90°
β	100.15 ± 0.03°
γ	90°
Cell volume	10494 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1486
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2298
Weighted residual factors for all reflections included in the refinement	0.2727
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
250321 (current)	2020-04-05	cif/ Updating files of 7701453, 7701454, 7701455 Original log message: Adding full bibliography for 7701453--7701455.cif.	7701454.cif
220527	2019-10-30	cif/ Adding structures of 7701453, 7701454, 7701455 via cif-deposit CGI script.	7701454.cif